6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione

C15H18N2O2S — CID 67631197

IUPAC6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O2S/c1-4-5-12-13(18)16-15(19)17-14(12)20-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyCLTHFAIXXIHOKH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.78
Rot. Bonds4

About 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione

6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 67631197) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID67631197
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O2S/c1-4-5-12-13(18)16-15(19)17-14(12)20-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyCLTHFAIXXIHOKH-UHFFFAOYSA-N
XLogP2.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione (CID 67631197) is 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is CLTHFAIXXIHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-5-12-13(18)16-15(19)17-14(12)20-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione?
6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 290.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)sulfanyl-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67631197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).